(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one

C13H24N2O2 — CID 99628944

IUPAC(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one
SMILESC=CCC[C@H](C)N[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-4-5-6-11(2)14-12(3)13(16)15-7-9-17-10-8-15/h4,11-12,14H,1,5-10H2,2-3H3/t11-,12-/m0/s1
InChIKeyAIBVYOIAJFLUIT-RYUDHWBXSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds6

About (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one

(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 99628944) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID99628944
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one
SMILESC=CCC[C@H](C)N[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-4-5-6-11(2)14-12(3)13(16)15-7-9-17-10-8-15/h4,11-12,14H,1,5-10H2,2-3H3/t11-,12-/m0/s1
InChIKeyAIBVYOIAJFLUIT-RYUDHWBXSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpentan-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 43372158
2-hex-5-enyl-1-morpholin-4-ylbutane-1,3-dione
CID 101231184
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 113484800
2-(hex-5-en-2-ylamino)propanamide
CID 104581628
(2R)-1-morpholin-4-yl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-1-one
CID 94159983
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296
4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 113408473
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one (CID 99628944) is (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one is C=CCC[C@H](C)N[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is AIBVYOIAJFLUIT-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-6-11(2)14-12(3)13(16)15-7-9-17-10-8-15/h4,11-12,14H,1,5-10H2,2-3H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-hex-5-en-2-yl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 99628944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).